Glycoside
GD092124
Name:
NoneFormula:
C21H33O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@H](OCC[NH+]5CCCCC5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC(OCC[NH+]3CCCCC3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.53 | Num_heavy_atoms: | 32 |
| TPSA: | 130.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD40220
Formula: C16H24ON6
Smiles:
C1=Nc2c(ncnc2N2CCC(OCC[NH+]3CCCCC3)C2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.41 | Num_heavy_atoms: | 23 |
| TPSA: | 69.15 | NumAromaticRings: | 1 |
